2-(1-bromo-2-fluoroethyl)oxirane

C4H6BrFO — CID 10352092

IUPAC2-(1-bromo-2-fluoroethyl)oxirane
SMILESFCC(Br)C1CO1
InChIInChI=1S/C4H6BrFO/c5-3(1-6)4-2-7-4/h3-4H,1-2H2
InChIKeyVUWKFMSOXJAMIB-UHFFFAOYSA-N
MW168.99 g/mol
LogP1.12
Rot. Bonds2

About 2-(1-bromo-2-fluoroethyl)oxirane

2-(1-bromo-2-fluoroethyl)oxirane (PubChem CID 10352092) has the molecular formula C4H6BrFO and a molecular weight of 168.99 g/mol. Its IUPAC name is 2-(1-bromo-2-fluoroethyl)oxirane.

Molecular Properties

Compound Name2-(1-bromo-2-fluoroethyl)oxirane
PubChem CID10352092
Molecular FormulaC4H6BrFO
Molecular Weight168.99 g/mol
Exact Mass167.96
IUPAC Name2-(1-bromo-2-fluoroethyl)oxirane
SMILESFCC(Br)C1CO1
InChIInChI=1S/C4H6BrFO/c5-3(1-6)4-2-7-4/h3-4H,1-2H2
InChIKeyVUWKFMSOXJAMIB-UHFFFAOYSA-N
XLogP1.12
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-fluoroethyl)oxirane?
The IUPAC name of 2-(1-bromo-2-fluoroethyl)oxirane (CID 10352092) is 2-(1-bromo-2-fluoroethyl)oxirane.
What is the SMILES notation for 2-(1-bromo-2-fluoroethyl)oxirane?
The canonical SMILES for 2-(1-bromo-2-fluoroethyl)oxirane is FCC(Br)C1CO1.
What is the InChIKey of 2-(1-bromo-2-fluoroethyl)oxirane?
The InChIKey is VUWKFMSOXJAMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrFO/c5-3(1-6)4-2-7-4/h3-4H,1-2H2.
What are the key properties of 2-(1-bromo-2-fluoroethyl)oxirane?
2-(1-bromo-2-fluoroethyl)oxirane has a molecular weight of 168.99 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-fluoroethyl)oxirane is sourced from PubChem (CID 10352092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).